Structure

Cross-references

GlyTouCan : G70593HA

GlyGen : G70593HA

ChEBI : 153512

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Composition

Hex:1 HexNAc:1 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Fuc

GlycoCT

RES
1b:a-lgal-HEX-1:5|6:d
2b:b-dglc-HEX-1:5
3s:n-acetyl
4b:b-dgal-HEX-1:5
5b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
6s:n-acetyl
LIN
1:1o(3+1)2d
2:2d(2+1)3n
3:2o(4+1)4d
4:4o(6+2)5d
5:5d(5+1)6n

GWS

freeEnd--?a1L-Fuc,p--3b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O

InCHI key

OTFGZEINZTXUSV-IDIJYDLRSA-N

InCHI

InChI=1S/C31H52N2O23/c1-8-17(40)26(23(46)27(47)51-8)55-28-16(33-10(3)37)20(43)24(13(6-35)52-28)54-29-22(45)21(44)19(42)14(53-29)7-50-31(30(48)49)4-11(38)15(32-9(2)36)25(56-31)18(41)12(39)5-34/h8,11-29,34-35,38-47H,4-7H2,1-3H3,(H,32,36)(H,33,37)(H,48,49)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23-,24+,25+,26+,27+,28-,29-,31+/m0/s1